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Article ; Online: Quality markers screening of traditional Chinese medicine prescriptions based on the multi-factor analysis strategy

Ling-xian Liu / Hai-bo Li / Jia-ying Zhang / Dan-feng Shi / Zhen-zhong Wang / Xin-sheng Yao / Wei Xiao / Yang Yu

Arabian Journal of Chemistry, Vol 17, Iss 1, Pp 105433- (2024)

Jin-Zhen oral liquid as a case

1481

Abstract: Background: Jin-Zhen oral liquid (JZOL), a well-known traditional Chinese medicine prescription (TCMp), has extensively been used to treat acute bronchitis in children more than four hundred years in China. However, the current quality control standard ... ...

Abstract	Background: Jin-Zhen oral liquid (JZOL), a well-known traditional Chinese medicine prescription (TCMp), has extensively been used to treat acute bronchitis in children more than four hundred years in China. However, the current quality control standard of JZOL is inadequate, posing challenges for its internationalization. Purpose: In this study, a Q-marker screening strategy based on multi-factor analysis was proposed to comprehensively evaluate anti-inflammatory Q-markers of Jin-Zhen oral liquid (JZOL). Methods: Firstly, the chemical profile and the pharmacokinetics properties of multiple components in JZOL were characterized by UPLC-Q/TOF-MS and UPLC-QqQ-MS. By integrating the measurable and absorbed components, twenty-two components with structures accurately defined, were selected as candidate Q-markers of JZOL. Following that, a network connecting 22 components and targets closely associated with bronchitis was established. Afterwards, a multi-factor analysis mode was developed to balance the components’ multiple characteristics, and screen out the anti-inflammatory Q-markers in JZOL. Finally, the anti-inflammatory activity evaluation was conducted by LPS-induced RAW 264.7 macrophages to prove the representativeness of anti-inflammatory Q-markers in JZOL. Results: As a result, a total of 92 components were characterized in JZOL and the pharmacokinetics properties of 11 bioactive components in vivo were further characterized. Then, an overlapping of 46 targets involved in the interactions of selected 22 candidate Q-markers and the regulation of bronchitis inflammation were collected. Subsequently, a multi-factor analysis was developed on 22 candidate anti-inflammatory Q-markers covering five factors, with the statistic KMO values of 0.645, and the P values of Bartlett's Test equal to 0.000. A total of seven ingredients (aloeemodin-8-O-β-d-glucopyranoside, baicalin, chrysin-7-O-β-d-glucuronide, oroxylin A 7-O-β-d-glucuronide, wogonoside, chrysophanol-8-O-β-d-glucopyranoside, and skullcapflavone II) were ...
Keywords	Q-markers ; Jin-Zhen oral liquid (JZOL) ; Acute bronchitis ; Anti-inflammatory ; Traditional Chinese Medicine prescriptions ; Multi-factor analysis ; Chemistry ; QD1-999
Language	English
Publishing date	2024-01-01T00:00:00Z
Publisher	Elsevier
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: C

Shu, Zhi-Heng / Chen, Miao / Li, Yao / Fan, Cai-Lian / Chen, Wei-Wu / Xin-Sheng, Yao / Dai, Yi

Natural product research

2023 , Page(s) 1–7

Abstract: A series of ... ...

Abstract	A series of C
Language	English
Publishing date	2023-10-11
Publishing country	England
Document type	Journal Article
ZDB-ID	2185747-7
ISSN	1478-6427 ; 1478-6419
ISSN (online)	1478-6427
ISSN	1478-6419
DOI	10.1080/14786419.2023.2269591
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: An integrated strategy by chemical characterization, in vivo metabolism, chemical isolation, and activity evaluation to target discovery of potential active substances in traditional Chinese medicine

Xi-yang Tang / Peng-cheng Zhao / Ming-hao Chen / Xiao-xing Wang / Cai-lian Fan / Zhi-hong Yao / Xin-sheng Yao / Yi Dai

Arabian Journal of Chemistry, Vol 16, Iss 7, Pp 104858- (2023)

Mori Fructus as an example

2023

Abstract: Mori Fructus (MF) is a famous edible fruit of Morus alba L. as well as traditional Chinese medicine (TCM). Moreover, exposure behavior of complex components in vivo is a necessary way to elucidate active substances in TCMs. However, the effective ... ...

Abstract	Mori Fructus (MF) is a famous edible fruit of Morus alba L. as well as traditional Chinese medicine (TCM). Moreover, exposure behavior of complex components in vivo is a necessary way to elucidate active substances in TCMs. However, the effective discovery of active ingredients from MF in vivo is still a challenge for researchers. In this study, an integrated strategy with chemical characterization, in vivo metabolism, chemical isolation, and activity evaluation was established and applied in targeted discovery of potential lipid-lowering substances in MF. First, an ultra-performance liquid chromatography with quadrupole time-of-flight mass spectrometry method was established to characterize various chemical components in MF extract. Second, with the automatic matching (in-house database), discriminant ions analysis and metabolite software prediction, the metabolic profiling of different types of MF was elucidated in vivo. And the compounds from MF with high MS response in vivo were discovered. Third, according to LC-MS information of fractions, these compounds were isolated and identified by NMR. Finally, the isolated compounds were evaluated for the lipid-lowering activity on determination of triglyceride levels in high fructose-induced HepG2 cells at different concentrations. And PCSK9 inhibitory and LDL-R promoting activity were measured by western blot experiment. As a result, a total of 72 constituents were characterized in MF. After oral administration of MF extract, 16 prototypes and 33 metabolites were rapidly screened out. And the metabolism features of alkaloids, flavonols and organic acids were further revealed. Six alkaloids (morusimic acid A-D, G, F), with high MS response in vivo and no reference standards on the market, were isolated guided by LC-MS and identified by NMR. Among them, morusimic acid A, B, G and F could reduce triglyceride levels in fructose-induced HepG2 cells. Moreover, with western blot experiment, morusimic acid A, B, G and F could inhibit the expression of PCSK9 protein. And ...
Keywords	Mori Fructus ; In vivo metabolism ; LC-MS guided isolation ; Alkaloids ; Lipid-lowering activity ; PCSK9 ; Chemistry ; QD1-999
Subject code	540
Language	English
Publishing date	2023-07-01T00:00:00Z
Publisher	Elsevier
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Nur77 Serves as a Potential Prognostic Biomarker That Correlates with Immune Infiltration and May Act as a Good Target for Prostate adenocarcinoma

Qiong-Ying Hu / Jie Liu / Xiao-Kun Zhang / Wan-Ting Yang / Yu-Tian Tao / Ce Chen / Ye-He Qian / Jin-Shan Tang / Xin-Sheng Yao / Ying-He Xu / Jing-Hui Wang

Molecules, Vol 28, Iss 1238, p

2023 Volume 1238

Abstract: Prostate adenocarcinoma (PRAD) is the most frequent malignancy, and is the second leading cause of death due to cancer in men. Thus, new prognostic biomarkers and drug targets for PRAD are urgently needed. As we know, nuclear receptor Nur77 is important ... ...

Abstract	Prostate adenocarcinoma (PRAD) is the most frequent malignancy, and is the second leading cause of death due to cancer in men. Thus, new prognostic biomarkers and drug targets for PRAD are urgently needed. As we know, nuclear receptor Nur77 is important in cancer development and changes in the tumor microenvironment; whereas, the function of Nur77 in PRAD remains to be elucidated. The TCGA database was used to explore the Nur77 expression and its role in the prognosis of PRAD. It was shown that Nur77 was down regulated in PRAD, and low Nur77 expression was correlated with advanced clinical pathologic characteristics (high grade, histological type, age) and poor prognosis. Furthermore, key genes screening was examined by univariate Cox analysis and Kaplan-Meier survival. Additionally, Nur77 was closely related to immune infiltration and some anti-tumor immune functions. The differentially expressed genes (DEGs) were presented by protein-protein interaction (PPI) network analysis. Therefore, the expression level of Nur77 might help predict the survival of PRAD cases, which presents a new insight and a new target for the treatment of PRAD. In vitro experiments verified that natural product malayoside targeting Nur77 exhibited significant therapeutic effects on PRAD and largely induced cell apoptosis by up-regulating the expression of Nur77 and its mitochondrial localization. Taken together, Nur77 is a prognostic biomarker for patients with PRAD, which may refresh the profound understanding of PRAD individualized treatment.
Keywords	prostate cancer ; Nur77 ; prognosis ; target ; Organic chemistry ; QD241-441
Subject code	570
Language	English
Publishing date	2023-01-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: The progress in the chemical constituents of the genus Picrasma during 2007-2017

Jie Zhang / Jian Yang / Chuan-Xi Wang / Hao Gao / Xin-Sheng Yao

TMR Modern Herbal Medicine, Vol 1, Iss 4, Pp 220-

2018 Volume 232

Abstract: The plants of the genus Picrasma, comprised of nine species, are mainly distributed in tropical and subtropical regions of America and Asia. Some species of this genus are used as traditional medicine resources to cure anemopyretic cold, sore throat, ... ...

Abstract	The plants of the genus Picrasma, comprised of nine species, are mainly distributed in tropical and subtropical regions of America and Asia. Some species of this genus are used as traditional medicine resources to cure anemopyretic cold, sore throat, dysentery, eczema, nausea, loss of appetite, diabetes mellitus, hypertension, and so on. A total of 157 chemical constituents identified from Picrasma were reviewed by Jiao WH et al. in 2007. Since then, 101 compounds were reported from the plants of the genus Picrasma. These compounds are assigned to alkaloids, quassinoids, triterpenoids, and others. This review aims to provide an updated overview on the chemical constituents of the plants of the genus Picrasma during 2007-2017.
Keywords	The genus Picrasma ; Chemical constituents ; Alkaloids ; Quassinoids ; Triterpenoids ; Medicine ; R
Language	English
Publishing date	2018-10-01T00:00:00Z
Publisher	TMR publishing group
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article: Matteucens I-J, phenolics from the rhizomes of Matteuccia orientalis

Zhu, Ling-Juan / Ying Song / Peng Shao / Xue Zhang / Xin-Sheng Yao

Journal of Asian natural products research. 2018 Jan. 2, v. 20, no. 1

2018

Abstract: Two new phenolics, named matteucens I-J (1-2), were isolated from the 60% EtOH extract of the rhizomes of Matteuccia orientalis (HOOK.) TREV. Their structures were elucidated by means of extensive spectroscopic analysis (HRESIMS, NMR). ...

Abstract	Two new phenolics, named matteucens I-J (1-2), were isolated from the 60% EtOH extract of the rhizomes of Matteuccia orientalis (HOOK.) TREV. Their structures were elucidated by means of extensive spectroscopic analysis (HRESIMS, NMR).
Keywords	Matteuccia ; ethanol ; nuclear magnetic resonance spectroscopy ; phenolic compounds ; rhizomes ; spectral analysis
Language	English
Dates of publication	2018-0102
Size	p. 62-66.
Publishing place	Taylor & Francis
Document type	Article
ZDB-ID	2077926-4
ISSN	1477-2213 ; 1028-6020
ISSN (online)	1477-2213
ISSN	1028-6020
DOI	10.1080/10286020.2017.1409735
Database	NAL-Catalogue (AGRICOLA)

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Article: Antiviral phenolics from Antenoron filiforme var. neofiliforme

Ma, Shi-Zhong / Ling-Juan Zhu / Shu-Hua Luan / Xin-Sheng Yao / Xue Zhang

Journal of Asian natural products research. 2018 Aug. 3, v. 20, no. 8

2018

Abstract: Two new phenolics, 1,3-di-O-p-coumaroyl-2′,6′-di-O-acetylsucrose (1) and quercetin 3-O-β-D-apiofuranoyl-(1→2)-α-L-rhamnopyranoside (2), along with nine known compounds (3–11), were isolated from the whole plants of Antenoron filiforme var. neofiliforme. ... ...

Abstract	Two new phenolics, 1,3-di-O-p-coumaroyl-2′,6′-di-O-acetylsucrose (1) and quercetin 3-O-β-D-apiofuranoyl-(1→2)-α-L-rhamnopyranoside (2), along with nine known compounds (3–11), were isolated from the whole plants of Antenoron filiforme var. neofiliforme. Their chemical structures were characterized on the basis of various spectroscopic techniques. This is the first report of the isolation of phenylpropanoid sucrose (1, 3–4) from the genus Antenoron. The bioassay results showed that compound 11 exhibited antiviral activity against the Coxsackie virus B3 (CVB3).
Keywords	antiviral properties ; bioassays ; chemical structure ; Enterovirus ; Persicaria ; phenolic compounds ; quercetin ; spectroscopy ; sucrose
Language	English
Dates of publication	2018-0803
Size	p. 763-769.
Publishing place	Taylor & Francis
Document type	Article
ZDB-ID	2077926-4
ISSN	1477-2213 ; 1028-6020
ISSN (online)	1477-2213
ISSN	1028-6020
DOI	10.1080/10286020.2017.1351437
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: The Oxidation Cascade of a Rare Multifunctional P450 Enzyme Involved in Asperterpenoid A Biosynthesis

Hui-Yun Huang / Jia-Hua Huang / Yong-Heng Wang / Dan Hu / Yong-Jun Lu / Zhi-Gang She / Guo-Dong Chen / Xin-Sheng Yao / Hao Gao

Frontiers in Chemistry, Vol

2021 Volume 9

Abstract: The cytochrome P450 enzymes (P450s or CYPs) are heme-containing enzymes which catalyze a wide range of oxidation reactions in nature. In our previous study, a rare multifunctional P450 AstB was found, which can dually oxidize two methyl groups (C-19 and ... ...

Abstract	The cytochrome P450 enzymes (P450s or CYPs) are heme-containing enzymes which catalyze a wide range of oxidation reactions in nature. In our previous study, a rare multifunctional P450 AstB was found, which can dually oxidize two methyl groups (C-19 and C-21) of preasperterpenoid A to asperterpenoid A with 3-carboxyl and 11-hydroxymethyl groups. However, the oxidation order of C-19 and C-21 catalyzed by AstB is unclear. In order to reveal this oxidation order, probable pathways catalyzed by AstB were proposed, and the oxidation order of C-19 and C-21 was obtained by quantum chemistry calculations. The potential intermediates (three new asperterpenoids D–F, 1–3) were obtained through the chemical investigation on the extract of the transformant strain and chemical conversions, which were used as the standards to detect their existences in the extract of the transformant strain with HPLC-MS. Combined with the quantum chemistry calculation and the HPLC-MS analysis, the catalyzed order of AstB in asperterpenoid A biosynthesis was revealed. Furthermore, the mPTPB inhibition of obtained asperterpenoids was evaluated, and the results showed that 3-carboxyl and the oxidation station of C-21 would be the key factors for mPTPB inhibition of asperterpenoids.
Keywords	multifunctional P450s ; methyl oxidation ; asperterpenoids ; mPTPB inhibition ; oxidation cascade ; Chemistry ; QD1-999
Subject code	540
Language	English
Publishing date	2021-12-01T00:00:00Z
Publisher	Frontiers Media S.A.
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article: Discovery of the mechanisms and major bioactive compounds responsible for the protective effects of Gualou Xiebai Decoction on coronary heart disease by network pharmacology analysis

Li, Chong / Wei-Yang Zhang / Yang Yu / Chun-Song Cheng / Jing-Yan Han / Xin-Sheng Yao / Hua Zhou

Phytomedicine. 2019 Mar. 15, v. 56

2019

Abstract: Gualou Xiebai decoction (GLXB), a multi-component herbal formula, has been widely used to treat coronary heart disease (CHD) in China for centuries. Several studies have revealed part of its pharmacological activities, whereas its active compounds and ... ...

Abstract	Gualou Xiebai decoction (GLXB), a multi-component herbal formula, has been widely used to treat coronary heart disease (CHD) in China for centuries. Several studies have revealed part of its pharmacological activities, whereas its active compounds and mechanisms of action are still unknown because of its complex composition.Discover the major active compounds and the pharmacological mechanisms of GLXB by network pharmacology methods.The main candidate target network was constructed by predicting targets of absorbable chemical compounds of GLXB, collecting therapeutic targets of cardiovascular drugs, constructing target network and layers of screening. Community detection and edge-betweenness calculation were applied to analyze the main candidate target network. Cell viability test, Western blot and flow cytometry were performed to validate the predicted results in cardiomyocytes hypoxia/reoxygenation model.Five clusters and eight cross-talk targets were found in the main candidate target network. Their functions combined together might explain the multifunctional role of GLXB against CHD. Among the cross-talk targets, ESR1 (Estrogen receptor alpha, ERα) and MAPK14 (Mitogen-activated protein kinase 14, p38) were both drug targets and therapeutic targets whose interaction exhibited the greatest edge-betweenness value, suggesting their crucial role in the protective effect of GLXB. The compounds targeting on ESR1 and MAPK14 were identified as apigenin and 25S-macrostemonoside P respectively which were regard as the major bioactive compounds. The predicted results including the major bioactive compounds, their targets and the synergic effects between them were validated.This study screened out major bioactive compounds from GLXB and offered a new understanding of the protection mechanism of GLXB against CHD by network pharmacology method and provides a combination strategy to explore mechanisms of action of multi-component drugs from a holistic perspective.
Keywords	Western blotting ; active ingredients ; apigenin ; bioactive compounds ; cardiomyocytes ; cell viability ; coronary disease ; drugs ; enzymes ; estrogen receptors ; flow cytometry ; hypoxia ; mechanism of action ; medicinal properties ; prediction ; protective effect ; screening ; synergism ; therapeutics ; viability assays ; China
Language	English
Dates of publication	2019-0315
Size	p. 261-268.
Publishing place	Elsevier GmbH
Document type	Article
ZDB-ID	1205240-1
ISSN	1618-095X ; 0944-7113
ISSN (online)	1618-095X
ISSN	0944-7113
DOI	10.1016/j.phymed.2018.11.010
Database	NAL-Catalogue (AGRICOLA)

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Article: Two new ursane-type nortriterpenes from Lonicera macranthoides and their iNOS-inhibitory activities

MEI, Yu-Dan / Nan ZHANG / Wei-Yang ZHANG / Jin-Shan TANG / Hua ZHOU / Yang YU / Xin-Sheng YAO

Chinese journal of natural medicines. 2019 Jan., v. 17, no. 1

2019

Abstract: The flower buds of Lonicera macranthoides (Shan Yin-Hua), represent an important traditional Chinese medicine and food ingredient. A phytochemical investigation of the 70% EtOH extract of the flower buds of L. macranthoides resulted in the isolation of ... ...

Abstract	The flower buds of Lonicera macranthoides (Shan Yin-Hua), represent an important traditional Chinese medicine and food ingredient. A phytochemical investigation of the 70% EtOH extract of the flower buds of L. macranthoides resulted in the isolation of 12 triterpenoids (1–12), including two new ursane-type nortriterpenes, 2α, 24-dihydroxy-23-nor-ursolic acid (1) and 2α, 4α-dihydroxy-23-nor-ursolic acid (2). Their structures were established by multiple spectroscopic methods and comparison with literature data. All isolated compounds were evaluated for their anti-inflammatory effects in LPS-activated RAW264.7 cells. Compounds 1 and 2 exhibited inhibitory effects on iNOS at the concentration of 30 μmol·L−1.
Keywords	Lonicera ; Oriental traditional medicine ; anti-inflammatory activity ; chemical constituents of plants ; ethanol ; flower buds ; inducible nitric oxide synthase ; ingredients ; spectroscopy ; triterpenoids
Language	English
Dates of publication	2019-01
Size	p. 27-32.
Publishing place	Elsevier B.V.
Document type	Article
ZDB-ID	2192577-X
ISSN	1875-5364 ; 2095-6975 ; 1672-3651
ISSN (online)	1875-5364
ISSN	2095-6975 ; 1672-3651
DOI	10.1016/S1875-5364(19)30006-8
Database	NAL-Catalogue (AGRICOLA)

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